(2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid

C14H25NO4 — CID 177254784

IUPAC(2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
SMILESCC(C)(C)OC(=O)CN[C@@H](CC1CCCC1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-12(16)9-15-11(13(17)18)8-10-6-4-5-7-10/h10-11,15H,4-9H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyDDORDZFFSAYZPS-NSHDSACASA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds6

About (2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid

(2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid (PubChem CID 177254784) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
PubChem CID177254784
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
SMILESCC(C)(C)OC(=O)CN[C@@H](CC1CCCC1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-12(16)9-15-11(13(17)18)8-10-6-4-5-7-10/h10-11,15H,4-9H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyDDORDZFFSAYZPS-NSHDSACASA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid (CID 177254784) is (2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid is CC(C)(C)OC(=O)CN[C@@H](CC1CCCC1)C(=O)O.
What is the InChIKey of (2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid?
The InChIKey is DDORDZFFSAYZPS-NSHDSACASA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,3)19-12(16)9-15-11(13(17)18)8-10-6-4-5-7-10/h10-11,15H,4-9H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid?
(2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 177254784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).