(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide

C14H22N4O2 — CID 44588252

IUPAC(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide
SMILESNC(=O)CC[C@H](N)C(=O)NC[C@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N4O2/c15-11(8-10-4-2-1-3-5-10)9-18-14(20)12(16)6-7-13(17)19/h1-5,11-12H,6-9,15-16H2,(H2,17,19)(H,18,20)/t11-,12+/m1/s1
InChIKeyCCSXUQWAOZZWCG-NEPJUHHUSA-N
MW278.36 g/mol
LogP-0.73
Rot. Bonds8

About (2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide

(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide (PubChem CID 44588252) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide
PubChem CID44588252
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide
SMILESNC(=O)CC[C@H](N)C(=O)NC[C@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N4O2/c15-11(8-10-4-2-1-3-5-10)9-18-14(20)12(16)6-7-13(17)19/h1-5,11-12H,6-9,15-16H2,(H2,17,19)(H,18,20)/t11-,12+/m1/s1
InChIKeyCCSXUQWAOZZWCG-NEPJUHHUSA-N
XLogP-0.73
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
(2-amino-3-phenylpropyl)urea
CID 137464572
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 175692315
5-[[4-carboxy-1-[(1-carboxy-2-phenylethyl)amino]-1-oxobutan-2-yl]amino]-4-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoic acid
CID 18478875
2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 14332082
N-[(2R)-2-amino-3-phenylpropyl]-2-phenylacetamide
CID 42645987
4-amino-5-[[1-[[5-amino-1-(carboxymethylamino)-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 22697908
2-[[5-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 18482090
2-[[4-amino-2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid
CID 18479215
2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid
CID 18479424
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
CID 18479871
2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-phenylpropanoyl]amino]butanedioic acid
CID 18220761

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide?
The IUPAC name of (2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide (CID 44588252) is (2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide.
What is the SMILES notation for (2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide?
The canonical SMILES for (2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide is NC(=O)CC[C@H](N)C(=O)NC[C@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide?
The InChIKey is CCSXUQWAOZZWCG-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-11(8-10-4-2-1-3-5-10)9-18-14(20)12(16)6-7-13(17)19/h1-5,11-12H,6-9,15-16H2,(H2,17,19)(H,18,20)/t11-,12+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide?
(2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide has a molecular weight of 278.36 g/mol, XLogP of -0.73, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2R)-2-amino-3-phenylpropyl]pentanediamide is sourced from PubChem (CID 44588252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).