(2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid

C10H18N2O5 — CID 59166494

IUPAC(2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid
SMILESCOC(=O)N[C@@H](CCN1CCOCC1)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-16-10(15)11-8(9(13)14)2-3-12-4-6-17-7-5-12/h8H,2-7H2,1H3,(H,11,15)(H,13,14)/t8-/m0/s1
InChIKeyZFRVCIWKXAZBBJ-QMMMGPOBSA-N
MW246.26 g/mol
LogP-0.48
Rot. Bonds5

About (2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid

(2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid (PubChem CID 59166494) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid
PubChem CID59166494
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid
SMILESCOC(=O)N[C@@H](CCN1CCOCC1)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-16-10(15)11-8(9(13)14)2-3-12-4-6-17-7-5-12/h8H,2-7H2,1H3,(H,11,15)(H,13,14)/t8-/m0/s1
InChIKeyZFRVCIWKXAZBBJ-QMMMGPOBSA-N
XLogP-0.48
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(methylamino)-4-(morpholin-4-yl)butanoate dihydrochloride
CID 154832910
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-ylbutanoic acid
CID 57773776
(3S)-3-amino-4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 90919288
Methyl 2-(methylamino)-4-(morpholin-4-yl)butanoate
CID 63029727
4-[4-(2-Methoxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroacetamido)butanoic acid
CID 165929562
4-{[3-(Morpholin-4-yl)propyl]amino}-4-oxobutanoic acid
CID 3567369
(2S)-3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid
CID 9970570
2-Amino-4-morpholin-4-yl-4-oxobutanoic acid
CID 18476647
2-[(2-Methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid
CID 18476657
2-{[(Tert-butoxy)carbonyl]amino}-4-(piperidin-1-yl)butanoic acid
CID 18768937
3-Methyl-2-(3-morpholin-4-ylpropanoylamino)butanoic acid
CID 18918041
3-Methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butanoic acid
CID 18918055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid?
The IUPAC name of (2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid (CID 59166494) is (2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for (2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for (2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid is COC(=O)N[C@@H](CCN1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid?
The InChIKey is ZFRVCIWKXAZBBJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-16-10(15)11-8(9(13)14)2-3-12-4-6-17-7-5-12/h8H,2-7H2,1H3,(H,11,15)(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid?
(2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxycarbonylamino)-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 59166494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).