(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate

C14H25N2O4- — CID 134943303

IUPAC(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
SMILESCCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)[O-]
InChIInChI=1S/C14H26N2O4/c1-4-14(2,3)6-5-11(12(17)18)15-13(19)16-7-9-20-10-8-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)/p-1/t11-/m0/s1
InChIKeyVRVCXYRBBRJCDC-NSHDSACASA-M
MW285.36 g/mol
LogP0.36
Rot. Bonds6

About (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate

(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate (PubChem CID 134943303) has the molecular formula C14H25N2O4- and a molecular weight of 285.36 g/mol. Its IUPAC name is (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate.

Molecular Properties

Compound Name(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
PubChem CID134943303
Molecular FormulaC14H25N2O4-
Molecular Weight285.36 g/mol
Exact Mass285.18
IUPAC Name(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
SMILESCCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)[O-]
InChIInChI=1S/C14H26N2O4/c1-4-14(2,3)6-5-11(12(17)18)15-13(19)16-7-9-20-10-8-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)/p-1/t11-/m0/s1
InChIKeyVRVCXYRBBRJCDC-NSHDSACASA-M
XLogP0.36
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5,5-dimethyl-2-(1-morpholin-4-ylethenylamino)heptanoic acid
CID 89126380
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62968340
(2R)-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 107566897
2-(1,4-oxazepane-4-carbonylamino)hexanoic acid
CID 62967980
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
N-[(2R)-octan-2-yl]morpholine-4-carboxamide
CID 7815302
4,4-difluoro-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 76558764
methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate
CID 3285258

Frequently Asked Questions

What is the IUPAC name of (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
The IUPAC name of (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate (CID 134943303) is (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate.
What is the SMILES notation for (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
The canonical SMILES for (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate is CCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)[O-].
What is the InChIKey of (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
The InChIKey is VRVCXYRBBRJCDC-NSHDSACASA-M. The full InChI is InChI=1S/C14H26N2O4/c1-4-14(2,3)6-5-11(12(17)18)15-13(19)16-7-9-20-10-8-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)/p-1/t11-/m0/s1.
What are the key properties of (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate?
(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate has a molecular weight of 285.36 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate is sourced from PubChem (CID 134943303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).