(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide

C6H13N3O2 — CID 7022326

IUPAC(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C6H13N3O2/c1-3(7)6(11)9-4(2)5(8)10/h3-4H,7H2,1-2H3,(H2,8,10)(H,9,11)/t3-,4-/m0/s1
InChIKeyDFQJATWYPJPAEU-IMJSIDKUSA-N
MW159.19 g/mol
LogP-1.68
Rot. Bonds3

About (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide (PubChem CID 7022326) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide
PubChem CID7022326
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C6H13N3O2/c1-3(7)6(11)9-4(2)5(8)10/h3-4H,7H2,1-2H3,(H2,8,10)(H,9,11)/t3-,4-/m0/s1
InChIKeyDFQJATWYPJPAEU-IMJSIDKUSA-N
XLogP-1.68
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide (CID 7022326) is (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide is C[C@H](N)C(=O)N[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide?
The InChIKey is DFQJATWYPJPAEU-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-3(7)6(11)9-4(2)5(8)10/h3-4H,7H2,1-2H3,(H2,8,10)(H,9,11)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide has a molecular weight of 159.19 g/mol, XLogP of -1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 7022326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).