2-aminoacetic acid;(2S)-2-aminobutanediamide

C6H14N4O4 — CID 161201991

IUPAC2-aminoacetic acid;(2S)-2-aminobutanediamide
SMILESNC(=O)C[C@H](N)C(N)=O.NCC(=O)O
InChIInChI=1S/C4H9N3O2.C2H5NO2/c5-2(4(7)9)1-3(6)8;3-1-2(4)5/h2H,1,5H2,(H2,6,8)(H2,7,9);1,3H2,(H,4,5)/t2-;/m0./s1
InChIKeyUVCGCBYGPFKJED-DKWTVANSSA-N
MW206.20 g/mol
LogP-3.30
Rot. Bonds4

About 2-aminoacetic acid;(2S)-2-aminobutanediamide

2-aminoacetic acid;(2S)-2-aminobutanediamide (PubChem CID 161201991) has the molecular formula C6H14N4O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-aminobutanediamide.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-aminobutanediamide
PubChem CID161201991
Molecular FormulaC6H14N4O4
Molecular Weight206.20 g/mol
Exact Mass206.10
IUPAC Name2-aminoacetic acid;(2S)-2-aminobutanediamide
SMILESNC(=O)C[C@H](N)C(N)=O.NCC(=O)O
InChIInChI=1S/C4H9N3O2.C2H5NO2/c5-2(4(7)9)1-3(6)8;3-1-2(4)5/h2H,1,5H2,(H2,6,8)(H2,7,9);1,3H2,(H,4,5)/t2-;/m0./s1
InChIKeyUVCGCBYGPFKJED-DKWTVANSSA-N
XLogP-3.30
TPSA175.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-3.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-aminobutanediamide?
The IUPAC name of 2-aminoacetic acid;(2S)-2-aminobutanediamide (CID 161201991) is 2-aminoacetic acid;(2S)-2-aminobutanediamide.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-aminobutanediamide?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-aminobutanediamide is NC(=O)C[C@H](N)C(N)=O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-aminobutanediamide?
The InChIKey is UVCGCBYGPFKJED-DKWTVANSSA-N. The full InChI is InChI=1S/C4H9N3O2.C2H5NO2/c5-2(4(7)9)1-3(6)8;3-1-2(4)5/h2H,1,5H2,(H2,6,8)(H2,7,9);1,3H2,(H,4,5)/t2-;/m0./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-aminobutanediamide?
2-aminoacetic acid;(2S)-2-aminobutanediamide has a molecular weight of 206.20 g/mol, XLogP of -3.30, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-aminobutanediamide is sourced from PubChem (CID 161201991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).