acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide

C7H15N3O4 — CID 88648065

IUPACacetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
SMILESCC(=O)O.C[C@H](N)C(=O)NCC(N)=O
InChIInChI=1S/C5H11N3O2.C2H4O2/c1-3(6)5(10)8-2-4(7)9;1-2(3)4/h3H,2,6H2,1H3,(H2,7,9)(H,8,10);1H3,(H,3,4)/t3-;/m0./s1
InChIKeySJJLYZJGHFBXMN-DFWYDOINSA-N
MW205.21 g/mol
LogP-1.97
Rot. Bonds3

About acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide

acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide (PubChem CID 88648065) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide.

Molecular Properties

Compound Nameacetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
PubChem CID88648065
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Nameacetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
SMILESCC(=O)O.C[C@H](N)C(=O)NCC(N)=O
InChIInChI=1S/C5H11N3O2.C2H4O2/c1-3(6)5(10)8-2-4(7)9;1-2(3)4/h3H,2,6H2,1H3,(H2,7,9)(H,8,10);1H3,(H,3,4)/t3-;/m0./s1
InChIKeySJJLYZJGHFBXMN-DFWYDOINSA-N
XLogP-1.97
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
2-[[2-(2-aminopropanoylamino)acetyl]amino]acetic acid;hydrate
CID 86146096
4-amino-2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18235505
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
CID 143641947
acetic acid;ethane-1,1-diamine
CID 157325550
acetic acid;2-amino-N-methylpropanamide
CID 71335706
2-[[4-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18235414
2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid
CID 18218293
(2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide
CID 155057842
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide?
The IUPAC name of acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide (CID 88648065) is acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide.
What is the SMILES notation for acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide?
The canonical SMILES for acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide is CC(=O)O.C[C@H](N)C(=O)NCC(N)=O.
What is the InChIKey of acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide?
The InChIKey is SJJLYZJGHFBXMN-DFWYDOINSA-N. The full InChI is InChI=1S/C5H11N3O2.C2H4O2/c1-3(6)5(10)8-2-4(7)9;1-2(3)4/h3H,2,6H2,1H3,(H2,7,9)(H,8,10);1H3,(H,3,4)/t3-;/m0./s1.
What are the key properties of acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide?
acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide has a molecular weight of 205.21 g/mol, XLogP of -1.97, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide is sourced from PubChem (CID 88648065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).