(2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid

C14H24N2O3 — CID 114096697

IUPAC(2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)NCC1(C2CC2)CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-13(2,3)10(11(17)18)16-12(19)15-8-14(6-7-14)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t10-/m0/s1
InChIKeyNLAYXZJYGQBIHR-JTQLQIEISA-N
MW268.36 g/mol
LogP1.98
Rot. Bonds5

About (2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 114096697) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID114096697
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)NCC1(C2CC2)CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-13(2,3)10(11(17)18)16-12(19)15-8-14(6-7-14)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t10-/m0/s1
InChIKeyNLAYXZJYGQBIHR-JTQLQIEISA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 114096791
(2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 114096668
2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 113364459
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61205743
(2S)-2-(3-cyclopentylpropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103995487
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 106900425
(2S)-3,3-dimethyl-2-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 61189588
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496
2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62416183

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid (CID 114096697) is (2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)NCC1(C2CC2)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is NLAYXZJYGQBIHR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)10(11(17)18)16-12(19)15-8-14(6-7-14)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t10-/m0/s1.
What are the key properties of (2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 114096697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).