(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid

C12H24N2O3 — CID 102907124

IUPAC(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
SMILESCC(C)C(CNC(=O)N[C@H](C)C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)10(8(3)4)6-13-12(17)14-9(5)11(15)16/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)/t9-/m1/s1
InChIKeyPVODIKZNOGZKOE-SECBINFHSA-N
MW244.33 g/mol
LogP1.69
Rot. Bonds6

About (2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid

(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid (PubChem CID 102907124) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
PubChem CID102907124
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
SMILESCC(C)C(CNC(=O)N[C@H](C)C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)10(8(3)4)6-13-12(17)14-9(5)11(15)16/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)/t9-/m1/s1
InChIKeyPVODIKZNOGZKOE-SECBINFHSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
CID 115408123
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
CID 102907074
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 78979081
(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
CID 2005904
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907220
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652
(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
CID 103463188

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid (CID 102907124) is (2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid is CC(C)C(CNC(=O)N[C@H](C)C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid?
The InChIKey is PVODIKZNOGZKOE-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7(2)10(8(3)4)6-13-12(17)14-9(5)11(15)16/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid?
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 102907124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).