(2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid

C14H25NO2 — CID 70330300

IUPAC(2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid
SMILESC=C(C[C@H](C(=O)O)C(C)(C)C)NC1CCCC1
InChIInChI=1S/C14H25NO2/c1-10(15-11-7-5-6-8-11)9-12(13(16)17)14(2,3)4/h11-12,15H,1,5-9H2,2-4H3,(H,16,17)/t12-/m1/s1
InChIKeyJKARUTWUPMSKPT-GFCCVEGCSA-N
MW239.36 g/mol
LogP3.17
Rot. Bonds5

About (2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid

(2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid (PubChem CID 70330300) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid
PubChem CID70330300
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid
SMILESC=C(C[C@H](C(=O)O)C(C)(C)C)NC1CCCC1
InChIInChI=1S/C14H25NO2/c1-10(15-11-7-5-6-8-11)9-12(13(16)17)14(2,3)4/h11-12,15H,1,5-9H2,2-4H3,(H,16,17)/t12-/m1/s1
InChIKeyJKARUTWUPMSKPT-GFCCVEGCSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid?
The IUPAC name of (2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid (CID 70330300) is (2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid.
What is the SMILES notation for (2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid?
The canonical SMILES for (2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid is C=C(C[C@H](C(=O)O)C(C)(C)C)NC1CCCC1.
What is the InChIKey of (2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid?
The InChIKey is JKARUTWUPMSKPT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(15-11-7-5-6-8-11)9-12(13(16)17)14(2,3)4/h11-12,15H,1,5-9H2,2-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid?
(2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid has a molecular weight of 239.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-4-(cyclopentylamino)pent-4-enoic acid is sourced from PubChem (CID 70330300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).