(2S)-2-azaniumyl-2-(carbamoylamino)acetate

C3H7N3O3 — CID 46173475

IUPAC(2S)-2-azaniumyl-2-(carbamoylamino)acetate
SMILESNC(=O)N[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1
InChIKeyVTFWFHCECSOPSX-SFOWXEAESA-N
MW133.11 g/mol
LogP-4.03
Rot. Bonds2

About (2S)-2-azaniumyl-2-(carbamoylamino)acetate

(2S)-2-azaniumyl-2-(carbamoylamino)acetate (PubChem CID 46173475) has the molecular formula C3H7N3O3 and a molecular weight of 133.11 g/mol. Its IUPAC name is (2S)-2-azaniumyl-2-(carbamoylamino)acetate.

Molecular Properties

Compound Name(2S)-2-azaniumyl-2-(carbamoylamino)acetate
PubChem CID46173475
Molecular FormulaC3H7N3O3
Molecular Weight133.11 g/mol
Exact Mass133.05
IUPAC Name(2S)-2-azaniumyl-2-(carbamoylamino)acetate
SMILESNC(=O)N[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1
InChIKeyVTFWFHCECSOPSX-SFOWXEAESA-N
XLogP-4.03
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-4.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(carbamoylamino)butanedioate
CID 5460257
(2R)-2-azaniumyl-3-(carbamoylamino)propanoate
CID 6993020
(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate
CID 7023135
(2S)-4-amino-2-(carbamoylamino)-4-oxobutanoate
CID 7319306
calcium 2-(carbamoylamino)butanedioate
CID 156759447
sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate
CID 155673077
dichloromethylurea
CID 23083847
zinc (2S)-2-(carbamoylamino)pentanedioate
CID 175394718
chloro 2-(carbamoylamino)-2-chloroacetate
CID 174668904
(2S)-2,6-bis(carbamoylamino)hexanoate
CID 2512810
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
bis(carbamoylamino)methylphosphonic acid
CID 88731403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azaniumyl-2-(carbamoylamino)acetate?
The IUPAC name of (2S)-2-azaniumyl-2-(carbamoylamino)acetate (CID 46173475) is (2S)-2-azaniumyl-2-(carbamoylamino)acetate.
What is the SMILES notation for (2S)-2-azaniumyl-2-(carbamoylamino)acetate?
The canonical SMILES for (2S)-2-azaniumyl-2-(carbamoylamino)acetate is NC(=O)N[C@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2S)-2-azaniumyl-2-(carbamoylamino)acetate?
The InChIKey is VTFWFHCECSOPSX-SFOWXEAESA-N. The full InChI is InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1.
What are the key properties of (2S)-2-azaniumyl-2-(carbamoylamino)acetate?
(2S)-2-azaniumyl-2-(carbamoylamino)acetate has a molecular weight of 133.11 g/mol, XLogP of -4.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azaniumyl-2-(carbamoylamino)acetate is sourced from PubChem (CID 46173475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).