(2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid

C19H25N3O5 — CID 120694580

IUPAC(2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc2[nH]cc(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)c2c1
InChIInChI=1S/C19H25N3O5/c1-11(2)6-16(19(25)26)22-18(24)10-21-17(23)7-12-9-20-15-5-4-13(27-3)8-14(12)15/h4-5,8-9,11,16,20H,6-7,10H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/t16-/m0/s1
InChIKeyYBNXZLFLGUDRPE-INIZCTEOSA-N
MW375.43 g/mol
LogP1.45
Rot. Bonds9

About (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid

(2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid (PubChem CID 120694580) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
PubChem CID120694580
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name(2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc2[nH]cc(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)c2c1
InChIInChI=1S/C19H25N3O5/c1-11(2)6-16(19(25)26)22-18(24)10-21-17(23)7-12-9-20-15-5-4-13(27-3)8-14(12)15/h4-5,8-9,11,16,20H,6-7,10H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/t16-/m0/s1
InChIKeyYBNXZLFLGUDRPE-INIZCTEOSA-N
XLogP1.45
TPSA120.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
(E)-2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]hex-4-enoic acid
CID 120692677
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide
CID 86985615
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 95598350
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
(2R)-3-(5-methoxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54263574
(2S)-4-methyl-2-[[2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]acetyl]amino]pentanoic acid
CID 120695655
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60610770

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid (CID 120694580) is (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid is COc1ccc2[nH]cc(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)c2c1.
What is the InChIKey of (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is YBNXZLFLGUDRPE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-11(2)6-16(19(25)26)22-18(24)10-21-17(23)7-12-9-20-15-5-4-13(27-3)8-14(12)15/h4-5,8-9,11,16,20H,6-7,10H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/t16-/m0/s1.
What are the key properties of (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid?
(2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 375.43 g/mol, XLogP of 1.45, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 120694580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).