(2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid

C14H25NO4 — CID 11129414

IUPAC(2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid
SMILESN[C@H](C[C@H](CCCC1CCCCC1)C(=O)O)C(=O)O
InChIInChI=1S/C14H25NO4/c15-12(14(18)19)9-11(13(16)17)8-4-7-10-5-2-1-3-6-10/h10-12H,1-9,15H2,(H,16,17)(H,18,19)/t11-,12+/m0/s1
InChIKeyQOYZHWMQDLIMMF-NWDGAFQWSA-N
MW271.36 g/mol
LogP2.24
Rot. Bonds8

About (2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid

(2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid (PubChem CID 11129414) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid.

Molecular Properties

Compound Name(2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid
PubChem CID11129414
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid
SMILESN[C@H](C[C@H](CCCC1CCCCC1)C(=O)O)C(=O)O
InChIInChI=1S/C14H25NO4/c15-12(14(18)19)9-11(13(16)17)8-4-7-10-5-2-1-3-6-10/h10-12H,1-9,15H2,(H,16,17)(H,18,19)/t11-,12+/m0/s1
InChIKeyQOYZHWMQDLIMMF-NWDGAFQWSA-N
XLogP2.24
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid?
The IUPAC name of (2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid (CID 11129414) is (2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid.
What is the SMILES notation for (2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid?
The canonical SMILES for (2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid is N[C@H](C[C@H](CCCC1CCCCC1)C(=O)O)C(=O)O.
What is the InChIKey of (2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid?
The InChIKey is QOYZHWMQDLIMMF-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25NO4/c15-12(14(18)19)9-11(13(16)17)8-4-7-10-5-2-1-3-6-10/h10-12H,1-9,15H2,(H,16,17)(H,18,19)/t11-,12+/m0/s1.
What are the key properties of (2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid?
(2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid has a molecular weight of 271.36 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-amino-4-(3-cyclohexylpropyl)pentanedioic acid is sourced from PubChem (CID 11129414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).