[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid

C10H20N2O3 — CID 69191542

IUPAC[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid
SMILESNC[C@H](CC1CCCCOC1)NC(=O)O
InChIInChI=1S/C10H20N2O3/c11-6-9(12-10(13)14)5-8-3-1-2-4-15-7-8/h8-9,12H,1-7,11H2,(H,13,14)/t8?,9-/m0/s1
InChIKeyYZDQOPDJJPBXLU-GKAPJAKFSA-N
MW216.28 g/mol
LogP0.79
Rot. Bonds4

About [(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid

[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid (PubChem CID 69191542) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid
PubChem CID69191542
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid
SMILESNC[C@H](CC1CCCCOC1)NC(=O)O
InChIInChI=1S/C10H20N2O3/c11-6-9(12-10(13)14)5-8-3-1-2-4-15-7-8/h8-9,12H,1-7,11H2,(H,13,14)/t8?,9-/m0/s1
InChIKeyYZDQOPDJJPBXLU-GKAPJAKFSA-N
XLogP0.79
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(methylamino)-3-(oxan-3-yl)propan-2-yl]carbamic acid
CID 67366140
[1-amino-4,4-dimethyl-2-[[(3S)-oxan-3-yl]methyl]pentan-3-yl]carbamic acid
CID 67253327
molecular hydrogen;[(2R)-1-[(3R)-oxan-3-yl]butan-2-yl]urea;propane
CID 143487005
[1-[methyl(1-trimethylsilylethoxycarbonyl)amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid
CID 68713325
2-fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431675
2-(aminomethyl)-3-(oxolan-3-yl)propanoic acid
CID 62314712
[(2R)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]-(2,2-dimethylpropyl)carbamic acid
CID 67251853
(2S)-2-fluoro-3-[(3S)-oxan-3-yl]propanoic acid
CID 129372190
4-amino-5-(oxan-3-yl)pentanoic acid
CID 63741616
[(1R)-1-hydroxy-1-[(3R)-oxepan-3-yl]propan-2-yl]carbamic acid
CID 69263229
[(2S)-2-(aminomethyl)-3-[(3R)-oxan-3-yl]propyl]-tert-butylcarbamic acid
CID 67251502
N-(1-aminopentan-2-yl)oxane-3-carboxamide
CID 65191424

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid (CID 69191542) is [(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid is NC[C@H](CC1CCCCOC1)NC(=O)O.
What is the InChIKey of [(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid?
The InChIKey is YZDQOPDJJPBXLU-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20N2O3/c11-6-9(12-10(13)14)5-8-3-1-2-4-15-7-8/h8-9,12H,1-7,11H2,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of [(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid?
[(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid has a molecular weight of 216.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-3-(oxepan-3-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 69191542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).