(2R)-2-(3-methylbutylcarbamoylamino)propanoate

C9H17N2O3- — CID 2015483

IUPAC(2R)-2-(3-methylbutylcarbamoylamino)propanoate
SMILESCC(C)CCNC(=O)N[C@H](C)C(=O)[O-]
InChIInChI=1S/C9H18N2O3/c1-6(2)4-5-10-9(14)11-7(3)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)(H2,10,11,14)/p-1/t7-/m1/s1
InChIKeyVDORTNKBLISZGX-SSDOTTSWSA-M
MW201.25 g/mol
LogP-0.53
Rot. Bonds5

About (2R)-2-(3-methylbutylcarbamoylamino)propanoate

(2R)-2-(3-methylbutylcarbamoylamino)propanoate (PubChem CID 2015483) has the molecular formula C9H17N2O3- and a molecular weight of 201.25 g/mol. Its IUPAC name is (2R)-2-(3-methylbutylcarbamoylamino)propanoate.

Molecular Properties

Compound Name(2R)-2-(3-methylbutylcarbamoylamino)propanoate
PubChem CID2015483
Molecular FormulaC9H17N2O3-
Molecular Weight201.25 g/mol
Exact Mass201.12
IUPAC Name(2R)-2-(3-methylbutylcarbamoylamino)propanoate
SMILESCC(C)CCNC(=O)N[C@H](C)C(=O)[O-]
InChIInChI=1S/C9H18N2O3/c1-6(2)4-5-10-9(14)11-7(3)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)(H2,10,11,14)/p-1/t7-/m1/s1
InChIKeyVDORTNKBLISZGX-SSDOTTSWSA-M
XLogP-0.53
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(3-methylbutyl)urea
CID 22563958
(2S)-3-hydroxy-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 61185829
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
(2S,3S)-3-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 40654470
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
(2S)-2-acetamidopropanoate
CID 6926438
(2R)-2-(3-methylsulfinylbutylcarbamoylamino)propanoic acid
CID 104866570
(2S)-2-hydroxy-3-(3-methylbutylcarbamoylamino)propanoic acid
CID 107837964
3-[(3-methylbutylcarbamoylamino)methyl]pentanoic acid
CID 81072494
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylbutylcarbamoylamino)propanoate?
The IUPAC name of (2R)-2-(3-methylbutylcarbamoylamino)propanoate (CID 2015483) is (2R)-2-(3-methylbutylcarbamoylamino)propanoate.
What is the SMILES notation for (2R)-2-(3-methylbutylcarbamoylamino)propanoate?
The canonical SMILES for (2R)-2-(3-methylbutylcarbamoylamino)propanoate is CC(C)CCNC(=O)N[C@H](C)C(=O)[O-].
What is the InChIKey of (2R)-2-(3-methylbutylcarbamoylamino)propanoate?
The InChIKey is VDORTNKBLISZGX-SSDOTTSWSA-M. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)4-5-10-9(14)11-7(3)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)(H2,10,11,14)/p-1/t7-/m1/s1.
What are the key properties of (2R)-2-(3-methylbutylcarbamoylamino)propanoate?
(2R)-2-(3-methylbutylcarbamoylamino)propanoate has a molecular weight of 201.25 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylbutylcarbamoylamino)propanoate is sourced from PubChem (CID 2015483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).