(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid

C19H29N3O6 — CID 18631423

IUPAC(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
SMILESCCC[C@H](N)C(=O)O.O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C14H18N2O4.C5H11NO2/c17-13(18)12(10-11-4-2-1-3-5-11)15-14(19)16-6-8-20-9-7-16;1-2-3-4(6)5(7)8/h1-5,12H,6-10H2,(H,15,19)(H,17,18);4H,2-3,6H2,1H3,(H,7,8)/t12-;4-/m00/s1
InChIKeyQZKMEHDGWQOLHV-GOYLBZKJSA-N
MW395.46 g/mol
LogP0.92
Rot. Bonds7

About (2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid

(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid (PubChem CID 18631423) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
PubChem CID18631423
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Name(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
SMILESCCC[C@H](N)C(=O)O.O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C14H18N2O4.C5H11NO2/c17-13(18)12(10-11-4-2-1-3-5-11)15-14(19)16-6-8-20-9-7-16;1-2-3-4(6)5(7)8/h1-5,12H,6-10H2,(H,15,19)(H,17,18);4H,2-3,6H2,1H3,(H,7,8)/t12-;4-/m00/s1
InChIKeyQZKMEHDGWQOLHV-GOYLBZKJSA-N
XLogP0.92
TPSA142.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 70077523
(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 103869019
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
CID 68541836
CID 68541836
2-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-phenylpropanoic acid
CID 4869509
2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62968340
(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 107566897
(2S)-2-[[methyl-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamoyl]amino]-3-phenylpropanoic acid
CID 14996791
N-[(2S)-1-[[2-amino-1-(benzenesulfonyl)-4-phenylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 70291185

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid (CID 18631423) is (2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid is CCC[C@H](N)C(=O)O.O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid?
The InChIKey is QZKMEHDGWQOLHV-GOYLBZKJSA-N. The full InChI is InChI=1S/C14H18N2O4.C5H11NO2/c17-13(18)12(10-11-4-2-1-3-5-11)15-14(19)16-6-8-20-9-7-16;1-2-3-4(6)5(7)8/h1-5,12H,6-10H2,(H,15,19)(H,17,18);4H,2-3,6H2,1H3,(H,7,8)/t12-;4-/m00/s1.
What are the key properties of (2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid?
(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid has a molecular weight of 395.46 g/mol, XLogP of 0.92, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 18631423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).