(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide

C5H11N3O2 — CID 7019037

IUPAC(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
SMILESC[C@H](N)C(=O)NCC(N)=O
InChIInChI=1S/C5H11N3O2/c1-3(6)5(10)8-2-4(7)9/h3H,2,6H2,1H3,(H2,7,9)(H,8,10)/t3-/m0/s1
InChIKeyNVNQBGLCMZNHEX-VKHMYHEASA-N
MW145.16 g/mol
LogP-2.06
Rot. Bonds3

About (2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide

(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide (PubChem CID 7019037) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
PubChem CID7019037
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
SMILESC[C@H](N)C(=O)NCC(N)=O
InChIInChI=1S/C5H11N3O2/c1-3(6)5(10)8-2-4(7)9/h3H,2,6H2,1H3,(H2,7,9)(H,8,10)/t3-/m0/s1
InChIKeyNVNQBGLCMZNHEX-VKHMYHEASA-N
XLogP-2.06
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-2.06
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-(2-amino-2-oxoethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide (CID 7019037) is (2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide is C[C@H](N)C(=O)NCC(N)=O.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide?
The InChIKey is NVNQBGLCMZNHEX-VKHMYHEASA-N. The full InChI is InChI=1S/C5H11N3O2/c1-3(6)5(10)8-2-4(7)9/h3H,2,6H2,1H3,(H2,7,9)(H,8,10)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide?
(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide has a molecular weight of 145.16 g/mol, XLogP of -2.06, 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-(2-amino-2-oxoethyl)propanamide is sourced from PubChem (CID 7019037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).