(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid

C10H20N2O3 — CID 78972056

IUPAC(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C(=O)N[C@H](C)C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-5-6-12(7(2)3)10(15)11-8(4)9(13)14/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)/t8-/m1/s1
InChIKeyNVYNRJJEBCRJGV-MRVPVSSYSA-N
MW216.28 g/mol
LogP1.29
Rot. Bonds5

About (2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid

(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid (PubChem CID 78972056) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
PubChem CID78972056
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C(=O)N[C@H](C)C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-5-6-12(7(2)3)10(15)11-8(4)9(13)14/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)/t8-/m1/s1
InChIKeyNVYNRJJEBCRJGV-MRVPVSSYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea
CID 88699422
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
(2R)-3-hydroxy-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 80756986
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-3-methylbutanoic acid
CID 54995171
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 55000845
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 106109710

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid (CID 78972056) is (2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid is CCCN(C(=O)N[C@H](C)C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid?
The InChIKey is NVYNRJJEBCRJGV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-6-12(7(2)3)10(15)11-8(4)9(13)14/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid?
(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 78972056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).