sodium 3-(carbamoylamino)-2-methylpropanoate

C5H9N2NaO3 — CID 175666948

IUPACsodium 3-(carbamoylamino)-2-methylpropanoate
SMILESCC(CNC(N)=O)C(=O)[O-].[Na+]
InChIInChI=1S/C5H10N2O3.Na/c1-3(4(8)9)2-7-5(6)10;/h3H,2H2,1H3,(H,8,9)(H3,6,7,10);/q;+1/p-1
InChIKeyNZWYIRZWIDCJGY-UHFFFAOYSA-M
MW168.13 g/mol
LogP-4.96
Rot. Bonds3

About sodium 3-(carbamoylamino)-2-methylpropanoate

sodium 3-(carbamoylamino)-2-methylpropanoate (PubChem CID 175666948) has the molecular formula C5H9N2NaO3 and a molecular weight of 168.13 g/mol. Its IUPAC name is sodium 3-(carbamoylamino)-2-methylpropanoate.

Molecular Properties

Compound Namesodium 3-(carbamoylamino)-2-methylpropanoate
PubChem CID175666948
Molecular FormulaC5H9N2NaO3
Molecular Weight168.13 g/mol
Exact Mass168.05
IUPAC Namesodium 3-(carbamoylamino)-2-methylpropanoate
SMILESCC(CNC(N)=O)C(=O)[O-].[Na+]
InChIInChI=1S/C5H10N2O3.Na/c1-3(4(8)9)2-7-5(6)10;/h3H,2H2,1H3,(H,8,9)(H3,6,7,10);/q;+1/p-1
InChIKeyNZWYIRZWIDCJGY-UHFFFAOYSA-M
XLogP-4.96
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 5-4.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-methyl-3-sulfanylidenepropyl)urea
CID 62666520
(2R)-2-azaniumyl-3-(carbamoylamino)propanoate
CID 6993020
2-methylbutylurea
CID 22179633
[(2R)-1-(carbamoylamino)propan-2-yl]urea
CID 3246036
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
2-[(carbamoylamino)methyl]-3-methylbutanoic acid
CID 65218090
2-methylbutanoate
CID 91073357
sodium 4-hydroxy-2-methylbutanoate
CID 23695196
1-[(2S)-1-(carbamoylamino)-3-methylbutan-2-yl]-3-methylurea
CID 138640636
2-pyrrolidin-1-ylpropylurea
CID 112728366
sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate
CID 155673077
2-propan-2-yloxyethylurea
CID 22179539

Frequently Asked Questions

What is the IUPAC name of sodium 3-(carbamoylamino)-2-methylpropanoate?
The IUPAC name of sodium 3-(carbamoylamino)-2-methylpropanoate (CID 175666948) is sodium 3-(carbamoylamino)-2-methylpropanoate.
What is the SMILES notation for sodium 3-(carbamoylamino)-2-methylpropanoate?
The canonical SMILES for sodium 3-(carbamoylamino)-2-methylpropanoate is CC(CNC(N)=O)C(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(carbamoylamino)-2-methylpropanoate?
The InChIKey is NZWYIRZWIDCJGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10N2O3.Na/c1-3(4(8)9)2-7-5(6)10;/h3H,2H2,1H3,(H,8,9)(H3,6,7,10);/q;+1/p-1.
What are the key properties of sodium 3-(carbamoylamino)-2-methylpropanoate?
sodium 3-(carbamoylamino)-2-methylpropanoate has a molecular weight of 168.13 g/mol, XLogP of -4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(carbamoylamino)-2-methylpropanoate is sourced from PubChem (CID 175666948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).