(2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide

C12H21N5O4 — CID 69007514

IUPAC(2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide
SMILESNC(=O)CC[C@H](N)C(=O)NC(=O)CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C12H21N5O4/c13-7(3-4-9(14)18)11(20)17-10(19)6-16-12(21)8-2-1-5-15-8/h7-8,15H,1-6,13H2,(H2,14,18)(H,16,21)(H,17,19,20)/t7-,8+/m0/s1
InChIKeyMOPNOTWJUXVEMC-JGVFFNPUSA-N
MW299.33 g/mol
LogP-2.91
Rot. Bonds7

About (2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide

(2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide (PubChem CID 69007514) has the molecular formula C12H21N5O4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide
PubChem CID69007514
Molecular FormulaC12H21N5O4
Molecular Weight299.33 g/mol
Exact Mass299.16
IUPAC Name(2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide
SMILESNC(=O)CC[C@H](N)C(=O)NC(=O)CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C12H21N5O4/c13-7(3-4-9(14)18)11(20)17-10(19)6-16-12(21)8-2-1-5-15-8/h7-8,15H,1-6,13H2,(H2,14,18)(H,16,21)(H,17,19,20)/t7-,8+/m0/s1
InChIKeyMOPNOTWJUXVEMC-JGVFFNPUSA-N
XLogP-2.91
TPSA156.41 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-2.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-5-amino-5-oxo-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 71353098
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
(2R)-N-[2-[(2-aminoacetyl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 66887574
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10419946
2,5-diamino-5-oxopentanoic acid;pyrrolidine-2-carboxylic acid
CID 22268904
N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 175618363
N-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419759
(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 103796173
5-amino-2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-5-oxopentanoic acid
CID 18223693
N-[2-(cyclopentylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 83620464
(2S)-N-[2-oxo-2-[8-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]octylamino]ethyl]pyrrolidine-2-carboxamide
CID 102333341
N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide?
The IUPAC name of (2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide (CID 69007514) is (2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide?
The canonical SMILES for (2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide is NC(=O)CC[C@H](N)C(=O)NC(=O)CNC(=O)[C@H]1CCCN1.
What is the InChIKey of (2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide?
The InChIKey is MOPNOTWJUXVEMC-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H21N5O4/c13-7(3-4-9(14)18)11(20)17-10(19)6-16-12(21)8-2-1-5-15-8/h7-8,15H,1-6,13H2,(H2,14,18)(H,16,21)(H,17,19,20)/t7-,8+/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide?
(2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide has a molecular weight of 299.33 g/mol, XLogP of -2.91, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide is sourced from PubChem (CID 69007514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).