2,3-diaminopropanoyl(methyl)carbamic acid

C5H11N3O3 — CID 175867666

IUPAC2,3-diaminopropanoyl(methyl)carbamic acid
SMILESCN(C(=O)O)C(=O)C(N)CN
InChIInChI=1S/C5H11N3O3/c1-8(5(10)11)4(9)3(7)2-6/h3H,2,6-7H2,1H3,(H,10,11)
InChIKeySEZJKAMIMKANGA-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.59
Rot. Bonds2

About 2,3-diaminopropanoyl(methyl)carbamic acid

2,3-diaminopropanoyl(methyl)carbamic acid (PubChem CID 175867666) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2,3-diaminopropanoyl(methyl)carbamic acid.

Molecular Properties

Compound Name2,3-diaminopropanoyl(methyl)carbamic acid
PubChem CID175867666
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name2,3-diaminopropanoyl(methyl)carbamic acid
SMILESCN(C(=O)O)C(=O)C(N)CN
InChIInChI=1S/C5H11N3O3/c1-8(5(10)11)4(9)3(7)2-6/h3H,2,6-7H2,1H3,(H,10,11)
InChIKeySEZJKAMIMKANGA-UHFFFAOYSA-N
XLogP-1.59
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-diaminopropanoic acid
CID 160927094
CID 173365109
CID 173365109
(2S)-1,2-diaminopentan-3-one
CID 88560983
(2R)-2-amino-N-hydroxy-N-methylpentanamide
CID 131057070
(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-[carboxy(methyl)amino]-3-oxopropyl]disulfanyl]-1-[carboxy(methyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;hydrate
CID 87657757
2-amino-N,N-dimethylbutanamide
CID 43649466
acetic acid;copper;2-methylpropan-1-amine
CID 88782115
acetic acid;methanediamine
CID 162329452
(2R)-2-amino-N-ethyl-N-methylpentanamide
CID 93255557
acetic acid;3,4-diaminobutanoic acid
CID 173099381
propan-2-yl 2,3-diaminopropanoate
CID 141295176
(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
CID 11949297

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminopropanoyl(methyl)carbamic acid?
The IUPAC name of 2,3-diaminopropanoyl(methyl)carbamic acid (CID 175867666) is 2,3-diaminopropanoyl(methyl)carbamic acid.
What is the SMILES notation for 2,3-diaminopropanoyl(methyl)carbamic acid?
The canonical SMILES for 2,3-diaminopropanoyl(methyl)carbamic acid is CN(C(=O)O)C(=O)C(N)CN.
What is the InChIKey of 2,3-diaminopropanoyl(methyl)carbamic acid?
The InChIKey is SEZJKAMIMKANGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c1-8(5(10)11)4(9)3(7)2-6/h3H,2,6-7H2,1H3,(H,10,11).
What are the key properties of 2,3-diaminopropanoyl(methyl)carbamic acid?
2,3-diaminopropanoyl(methyl)carbamic acid has a molecular weight of 161.16 g/mol, XLogP of -1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminopropanoyl(methyl)carbamic acid is sourced from PubChem (CID 175867666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).