2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid

C19H26N4O4 — CID 67421276

IUPAC2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid
SMILESO=C(O)CN(CCCc1ccccc1)CC(=O)N[C@H](CO)Cc1cnc[nH]1
InChIInChI=1S/C19H26N4O4/c24-13-17(9-16-10-20-14-21-16)22-18(25)11-23(12-19(26)27)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,10,14,17,24H,4,7-9,11-13H2,(H,20,21)(H,22,25)(H,26,27)/t17-/m0/s1
InChIKeyUBZGZZLPTQPYGI-KRWDZBQOSA-N
MW374.44 g/mol
LogP0.45
Rot. Bonds12

About 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid

2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid (PubChem CID 67421276) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid
PubChem CID67421276
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid
SMILESO=C(O)CN(CCCc1ccccc1)CC(=O)N[C@H](CO)Cc1cnc[nH]1
InChIInChI=1S/C19H26N4O4/c24-13-17(9-16-10-20-14-21-16)22-18(25)11-23(12-19(26)27)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,10,14,17,24H,4,7-9,11-13H2,(H,20,21)(H,22,25)(H,26,27)/t17-/m0/s1
InChIKeyUBZGZZLPTQPYGI-KRWDZBQOSA-N
XLogP0.45
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid with MolForge

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Related Compounds

2-[[2-[[(1S)-2-(1H-imidazol-5-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid
CID 67423229
tert-butyl (2S)-3-(1H-imidazol-5-yl)-2-[[2-[(2-methoxy-2-oxoethyl)-(3-phenylpropyl)amino]acetyl]amino]propanoate
CID 67421989
2-[[2-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-benzylamino]acetic acid
CID 67430533
(2S,3R)-2-hydroxy-3-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid
CID 57018573
2-[benzyl-[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]acetic acid
CID 67421786
3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide
CID 53261870
tert-butyl 3-(1H-imidazol-5-yl)-2-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]propanoate
CID 123393242
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593545
2-[[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-(naphthalen-2-ylmethyl)amino]acetic acid
CID 67411077
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18223335
(2S)-2-(1H-imidazol-5-ylmethylamino)-3-phenylpropan-1-ol
CID 102610097

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid (CID 67421276) is 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid is O=C(O)CN(CCCc1ccccc1)CC(=O)N[C@H](CO)Cc1cnc[nH]1.
What is the InChIKey of 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid?
The InChIKey is UBZGZZLPTQPYGI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O4/c24-13-17(9-16-10-20-14-21-16)22-18(25)11-23(12-19(26)27)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,10,14,17,24H,4,7-9,11-13H2,(H,20,21)(H,22,25)(H,26,27)/t17-/m0/s1.
What are the key properties of 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid?
2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid has a molecular weight of 374.44 g/mol, XLogP of 0.45, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid is sourced from PubChem (CID 67421276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).