(3-amino-1-carboxy-3-oxopropyl)azanium

C4H9N2O3+ — CID 5460874

IUPAC(3-amino-1-carboxy-3-oxopropyl)azanium
SMILESNC(=O)CC([NH3+])C(=O)O
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1
InChIKeyDCXYFEDJOCDNAF-UHFFFAOYSA-O
MW133.13 g/mol
LogP-2.44
Rot. Bonds3

About (3-amino-1-carboxy-3-oxopropyl)azanium

(3-amino-1-carboxy-3-oxopropyl)azanium (PubChem CID 5460874) has the molecular formula C4H9N2O3+ and a molecular weight of 133.13 g/mol. Its IUPAC name is (3-amino-1-carboxy-3-oxopropyl)azanium.

Molecular Properties

Compound Name(3-amino-1-carboxy-3-oxopropyl)azanium
PubChem CID5460874
Molecular FormulaC4H9N2O3+
Molecular Weight133.13 g/mol
Exact Mass133.06
IUPAC Name(3-amino-1-carboxy-3-oxopropyl)azanium
SMILESNC(=O)CC([NH3+])C(=O)O
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1
InChIKeyDCXYFEDJOCDNAF-UHFFFAOYSA-O
XLogP-2.44
TPSA108.03 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 5-2.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-azaniumyl-3-hydroxy-3-oxopropane-1-thiolate;zinc
CID 21133236
[(1R)-2-azaniumyl-1-carboxyethyl]azanium
CID 102469878
[(1S)-1-carboxy-2-hydroxyethyl]azanium
CID 5460790
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876
(2R)-2,4-diamino-4-oxobutanoic acid;hydrochloride
CID 135331136
[(1S)-3-amino-1-carboxy-3-oxopropyl]azanium;1,2,3-trinitropyrazole-3-carboxylate
CID 156729946
magnesium;(2S)-2,4-diamino-4-oxobutanoic acid;hydride
CID 174719447
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 21226082
(2S)-2-aminobutanedioic acid;azane;(2S)-2,4-diamino-4-oxobutanoic acid
CID 173165930
4-amino-2-(dichloroamino)-4-oxobutanoic acid
CID 87518642
pentakis(2-aminoacetic acid);bis(2,4-diamino-4-oxobutanoic acid)
CID 18680457

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-carboxy-3-oxopropyl)azanium?
The IUPAC name of (3-amino-1-carboxy-3-oxopropyl)azanium (CID 5460874) is (3-amino-1-carboxy-3-oxopropyl)azanium.
What is the SMILES notation for (3-amino-1-carboxy-3-oxopropyl)azanium?
The canonical SMILES for (3-amino-1-carboxy-3-oxopropyl)azanium is NC(=O)CC([NH3+])C(=O)O.
What is the InChIKey of (3-amino-1-carboxy-3-oxopropyl)azanium?
The InChIKey is DCXYFEDJOCDNAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1.
What are the key properties of (3-amino-1-carboxy-3-oxopropyl)azanium?
(3-amino-1-carboxy-3-oxopropyl)azanium has a molecular weight of 133.13 g/mol, XLogP of -2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-carboxy-3-oxopropyl)azanium is sourced from PubChem (CID 5460874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).