(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid

C11H19N3O3 — CID 78974760

IUPAC(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
SMILESCC(C)CN(CCC#N)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-8(2)7-14(6-4-5-12)11(17)13-9(3)10(15)16/h8-9H,4,6-7H2,1-3H3,(H,13,17)(H,15,16)/t9-/m1/s1
InChIKeyHZWHEIGTPFZVHA-SECBINFHSA-N
MW241.29 g/mol
LogP1.04
Rot. Bonds6

About (2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid

(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid (PubChem CID 78974760) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
PubChem CID78974760
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
SMILESCC(C)CN(CCC#N)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-8(2)7-14(6-4-5-12)11(17)13-9(3)10(15)16/h8-9H,4,6-7H2,1-3H3,(H,13,17)(H,15,16)/t9-/m1/s1
InChIKeyHZWHEIGTPFZVHA-SECBINFHSA-N
XLogP1.04
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976412
2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-cyclopropylacetic acid
CID 62711229
(2S)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305294
(2S)-3-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 114007394
4-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992252
3-[[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]methyl]pentanoic acid
CID 81070027
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 55003903
(2R)-2-[[2-cyanoethyl(phenyl)carbamoyl]amino]propanoic acid
CID 54991352
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid (CID 78974760) is (2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid is CC(C)CN(CCC#N)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
The InChIKey is HZWHEIGTPFZVHA-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(2)7-14(6-4-5-12)11(17)13-9(3)10(15)16/h8-9H,4,6-7H2,1-3H3,(H,13,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 78974760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).