3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide

C18H33N5O3 — CID 11354843

IUPAC3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide
SMILESNC(=O)CCNC[C@H](CO)NC[C@H](CO)NC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H33N5O3/c19-15(8-14-4-2-1-3-5-14)9-22-17(13-25)11-23-16(12-24)10-21-7-6-18(20)26/h1-5,15-17,21-25H,6-13,19H2,(H2,20,26)/t15-,16+,17+/m0/s1
InChIKeyZTEZVSDWANRRRV-GVDBMIGSSA-N
MW367.49 g/mol
LogP-2.08
Rot. Bonds15

About 3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide

3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide (PubChem CID 11354843) has the molecular formula C18H33N5O3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide.

Molecular Properties

Compound Name3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide
PubChem CID11354843
Molecular FormulaC18H33N5O3
Molecular Weight367.49 g/mol
Exact Mass367.26
IUPAC Name3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide
SMILESNC(=O)CCNC[C@H](CO)NC[C@H](CO)NC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H33N5O3/c19-15(8-14-4-2-1-3-5-14)9-22-17(13-25)11-23-16(12-24)10-21-7-6-18(20)26/h1-5,15-17,21-25H,6-13,19H2,(H2,20,26)/t15-,16+,17+/m0/s1
InChIKeyZTEZVSDWANRRRV-GVDBMIGSSA-N
XLogP-2.08
TPSA145.66 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 5-2.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
(2-amino-3-phenylpropyl)urea
CID 137464572
(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide
CID 44588252
4-(1-phenylbutan-2-ylamino)butanamide
CID 79007526
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 107861017
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
CID 54938672
N-[(2R)-2-amino-3-phenylpropyl]-2-phenylacetamide
CID 42645987
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 145457198
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;ethane
CID 143902014
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide?
The IUPAC name of 3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide (CID 11354843) is 3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide.
What is the SMILES notation for 3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide?
The canonical SMILES for 3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide is NC(=O)CCNC[C@H](CO)NC[C@H](CO)NC[C@@H](N)Cc1ccccc1.
What is the InChIKey of 3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide?
The InChIKey is ZTEZVSDWANRRRV-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H33N5O3/c19-15(8-14-4-2-1-3-5-14)9-22-17(13-25)11-23-16(12-24)10-21-7-6-18(20)26/h1-5,15-17,21-25H,6-13,19H2,(H2,20,26)/t15-,16+,17+/m0/s1.
What are the key properties of 3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide?
3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide has a molecular weight of 367.49 g/mol, XLogP of -2.08, 15 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-hydroxypropyl]amino]-3-hydroxypropyl]amino]propanamide is sourced from PubChem (CID 11354843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).