(2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid

C6H11N3O4 — CID 94065255

IUPAC(2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid
SMILESCNC(=O)N[C@@H](NC(C)=O)C(=O)O
InChIInChI=1S/C6H11N3O4/c1-3(10)8-4(5(11)12)9-6(13)7-2/h4H,1-2H3,(H,8,10)(H,11,12)(H2,7,9,13)/t4-/m1/s1
InChIKeyKWRRIPZEXQNSQG-SCSAIBSYSA-N
MW189.17 g/mol
LogP-1.54
Rot. Bonds3

About (2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid

(2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid (PubChem CID 94065255) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid
PubChem CID94065255
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name(2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid
SMILESCNC(=O)N[C@@H](NC(C)=O)C(=O)O
InChIInChI=1S/C6H11N3O4/c1-3(10)8-4(5(11)12)9-6(13)7-2/h4H,1-2H3,(H,8,10)(H,11,12)(H2,7,9,13)/t4-/m1/s1
InChIKeyKWRRIPZEXQNSQG-SCSAIBSYSA-N
XLogP-1.54
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
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-(acetyl(15N)amino)propanoic acid
CID 102175488
(3S)-3-acetamido-2-hydroxy-4-(methylamino)-4-oxobutanoic acid
CID 144619182
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
2-acetamido-2-(tritylamino)acetic acid
CID 57262896
N-(2-hydroxy-1-sulfanylethyl)acetamide
CID 147296695
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249
1-acetamido-3-methylurea
CID 22082406
CID 159040973
CID 159040973
bis(N-methylacetamide);propan-2-one
CID 158104043

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid?
The IUPAC name of (2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid (CID 94065255) is (2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid.
What is the SMILES notation for (2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid?
The canonical SMILES for (2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid is CNC(=O)N[C@@H](NC(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid?
The InChIKey is KWRRIPZEXQNSQG-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11N3O4/c1-3(10)8-4(5(11)12)9-6(13)7-2/h4H,1-2H3,(H,8,10)(H,11,12)(H2,7,9,13)/t4-/m1/s1.
What are the key properties of (2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid?
(2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid has a molecular weight of 189.17 g/mol, XLogP of -1.54, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-2-(methylcarbamoylamino)acetic acid is sourced from PubChem (CID 94065255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).