2-amino-2-(methoxycarbonylamino)acetic acid

C4H8N2O4 — CID 129058062

IUPAC2-amino-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)NC(N)C(=O)O
InChIInChI=1S/C4H8N2O4/c1-10-4(9)6-2(5)3(7)8/h2H,5H2,1H3,(H,6,9)(H,7,8)
InChIKeyBMDDWSKTSMPVGT-UHFFFAOYSA-N
MW148.12 g/mol
LogP-1.29
Rot. Bonds2

About 2-amino-2-(methoxycarbonylamino)acetic acid

2-amino-2-(methoxycarbonylamino)acetic acid (PubChem CID 129058062) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 2-amino-2-(methoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-amino-2-(methoxycarbonylamino)acetic acid
PubChem CID129058062
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name2-amino-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)NC(N)C(=O)O
InChIInChI=1S/C4H8N2O4/c1-10-4(9)6-2(5)3(7)8/h2H,5H2,1H3,(H,6,9)(H,7,8)
InChIKeyBMDDWSKTSMPVGT-UHFFFAOYSA-N
XLogP-1.29
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane
CID 159664208
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
methyl 2-hydroxy-2-(methoxycarbonylamino)acetate
CID 11412561
(2S)-2-amino-3-methoxy-3-methylbutanoic acid;(2S)-3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoic acid
CID 87134491
2-(methoxycarbonylamino)but-3-enoic acid
CID 14135910
2-tert-butyl-4-methoxy-3-(methoxycarbonylamino)-4-oxobutanoic acid
CID 174388659
(2S,3R)-3-hydroxy-2-(methoxycarbonylamino)butanoic acid;methane;sulfane
CID 161287453
methyl N-(1-fluoroethyl)carbamate
CID 166647333
methyl N-[(1R)-1-phosphanylethyl]carbamate
CID 122592062
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
CID 86589108
CID 86589108

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(methoxycarbonylamino)acetic acid?
The IUPAC name of 2-amino-2-(methoxycarbonylamino)acetic acid (CID 129058062) is 2-amino-2-(methoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-amino-2-(methoxycarbonylamino)acetic acid?
The canonical SMILES for 2-amino-2-(methoxycarbonylamino)acetic acid is COC(=O)NC(N)C(=O)O.
What is the InChIKey of 2-amino-2-(methoxycarbonylamino)acetic acid?
The InChIKey is BMDDWSKTSMPVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4/c1-10-4(9)6-2(5)3(7)8/h2H,5H2,1H3,(H,6,9)(H,7,8).
What are the key properties of 2-amino-2-(methoxycarbonylamino)acetic acid?
2-amino-2-(methoxycarbonylamino)acetic acid has a molecular weight of 148.12 g/mol, XLogP of -1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(methoxycarbonylamino)acetic acid is sourced from PubChem (CID 129058062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).