(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid

C10H17NO5 — CID 152625765

IUPAC(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid
SMILESCOC(=O)N[C@](C)(C(=O)O)C1CCOCC1
InChIInChI=1S/C10H17NO5/c1-10(8(12)13,11-9(14)15-2)7-3-5-16-6-4-7/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)/t10-/m0/s1
InChIKeyZCMDLAOWFXVYEO-JTQLQIEISA-N
MW231.25 g/mol
LogP0.61
Rot. Bonds3

About (2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid

(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid (PubChem CID 152625765) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid
PubChem CID152625765
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid
SMILESCOC(=O)N[C@](C)(C(=O)O)C1CCOCC1
InChIInChI=1S/C10H17NO5/c1-10(8(12)13,11-9(14)15-2)7-3-5-16-6-4-7/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)/t10-/m0/s1
InChIKeyZCMDLAOWFXVYEO-JTQLQIEISA-N
XLogP0.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxycarbonylamino)-2-(oxetan-3-yl)propanoic acid
CID 66719746
2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 63706066
(2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid
CID 124510328
2-cyclopropyl-2-[(3-methyloxane-4-carbonyl)amino]propanoic acid
CID 114240910
2-cyclohexyl-2-(2,2,2-trichloroethoxycarbonylamino)propanoic acid
CID 169081158
[1-chloro-1-(oxan-4-yl)ethyl] hydrogen carbonate
CID 70818061
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145
2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid
CID 61418982
methyl N-[2,2-dimethyl-1-(oxan-4-yl)butyl]carbamate
CID 130436609
3-methyl-3-(oxan-4-yl)butan-2-one
CID 58834303
2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 114987732

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid?
The IUPAC name of (2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid (CID 152625765) is (2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid is COC(=O)N[C@](C)(C(=O)O)C1CCOCC1.
What is the InChIKey of (2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid?
The InChIKey is ZCMDLAOWFXVYEO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(8(12)13,11-9(14)15-2)7-3-5-16-6-4-7/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid?
(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid has a molecular weight of 231.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid is sourced from PubChem (CID 152625765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).