(2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid

C14H24N2O3 — CID 114096668

IUPAC(2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)NCC1(C2CC2)CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-3-9(2)11(12(17)18)16-13(19)15-8-14(6-7-14)10-4-5-10/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19)/t9?,11-/m0/s1
InChIKeyJBPZDHZTBYFGCS-UMJHXOGRSA-N
MW268.36 g/mol
LogP1.98
Rot. Bonds7

About (2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid

(2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid (PubChem CID 114096668) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid
PubChem CID114096668
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)NCC1(C2CC2)CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-3-9(2)11(12(17)18)16-13(19)15-8-14(6-7-14)10-4-5-10/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19)/t9?,11-/m0/s1
InChIKeyJBPZDHZTBYFGCS-UMJHXOGRSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
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)methylcarbamoylamino]-4-methylpentanoic acid
CID 113364459
(2S)-2-(cyclopropylmethylcarbamoylamino)-3-methylpentanoic acid
CID 61180924
(2R)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 114096697
(2S,3S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-3-methylpentanoic acid
CID 107164847
(2S,3S)-2-(2-cyclopropylpropylcarbamoylamino)-3-methylpentanoic acid
CID 103997545
(2S)-2-(1-cyclopropylethylcarbamoylamino)-3-methylpentanoic acid
CID 61198501
2-(1-cyclopropylethylcarbamoylamino)-3-methylpentanoic acid
CID 61198672
(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 40607627
(2S,3S)-3-methyl-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 63705569
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
(2S,3S)-2-(2-cyclohexylethylcarbamoylamino)-3-methylpentanoic acid
CID 61206115
(2S,3S)-3-methyl-2-[(5-methylpyrazin-2-yl)methylcarbamoylamino]pentanoic acid
CID 62840347

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid (CID 114096668) is (2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)NCC1(C2CC2)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid?
The InChIKey is JBPZDHZTBYFGCS-UMJHXOGRSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-9(2)11(12(17)18)16-13(19)15-8-14(6-7-14)10-4-5-10/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid?
(2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-3-methylpentanoic acid is sourced from PubChem (CID 114096668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).