(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid

C15H16ClNO4 — CID 107563784

IUPAC(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)O
InChIInChI=1S/C15H16ClNO4/c1-2-3-12(15(19)20)17-14(18)10-6-9-7-11(16)4-5-13(9)21-8-10/h4-7,12H,2-3,8H2,1H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyVXJZBOUPYLYULD-LBPRGKRZSA-N
MW309.75 g/mol
LogP2.49
Rot. Bonds5

About (2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid

(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid (PubChem CID 107563784) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is (2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid
PubChem CID107563784
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)O
InChIInChI=1S/C15H16ClNO4/c1-2-3-12(15(19)20)17-14(18)10-6-9-7-11(16)4-5-13(9)21-8-10/h4-7,12H,2-3,8H2,1H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyVXJZBOUPYLYULD-LBPRGKRZSA-N
XLogP2.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18099486
(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)pentanoic acid
CID 41302849
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
(E)-2-[(6-bromo-2H-chromene-3-carbonyl)amino]hex-4-enoic acid
CID 120694172
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid (CID 107563784) is (2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)O.
What is the InChIKey of (2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid?
The InChIKey is VXJZBOUPYLYULD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-2-3-12(15(19)20)17-14(18)10-6-9-7-11(16)4-5-13(9)21-8-10/h4-7,12H,2-3,8H2,1H3,(H,17,18)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid?
(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid has a molecular weight of 309.75 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107563784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).