2-amino-4-morpholin-4-yl-4-oxobutanoic acid

C8H14N2O4 — CID 18476647

IUPAC2-amino-4-morpholin-4-yl-4-oxobutanoic acid
SMILESNC(CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-6(8(12)13)5-7(11)10-1-3-14-4-2-10/h6H,1-5,9H2,(H,12,13)
InChIKeyYHMVLGASNQKOLP-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.35
Rot. Bonds3

About 2-amino-4-morpholin-4-yl-4-oxobutanoic acid

2-amino-4-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 18476647) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-amino-4-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-4-morpholin-4-yl-4-oxobutanoic acid
PubChem CID18476647
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-amino-4-morpholin-4-yl-4-oxobutanoic acid
SMILESNC(CC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-6(8(12)13)5-7(11)10-1-3-14-4-2-10/h6H,1-5,9H2,(H,12,13)
InChIKeyYHMVLGASNQKOLP-UHFFFAOYSA-N
XLogP-1.35
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(2-acetyloxyethylamino)-3-amino-4-oxobutanoic acid
CID 44369601
N-[[2-Morpholino]ethyl]succinamic acid
CID 567610
(3S)-3-amino-4-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 90919288
2-[3-Oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-2-yl]acetic acid
CID 64279555
2-[(2-Morpholin-3-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 80423374
2-Amino-4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-4-oxobutanoic acid
CID 274184
4-{[3-(Morpholin-4-yl)propyl]amino}-4-oxobutanoic acid
CID 3567369
Ethyl 2-acetamido-4-amino-4-oxobutanoate
CID 14420387
ethyl (2S)-2-acetamido-4-amino-4-oxobutanoate
CID 14420388
2-[(2-Methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-4-oxobutanoic acid
CID 18476657
4-Amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid
CID 18917999
2-Amino-4-(morpholine-4-carbonylamino)-4-oxobutanoic acid
CID 21803431

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 2-amino-4-morpholin-4-yl-4-oxobutanoic acid (CID 18476647) is 2-amino-4-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 2-amino-4-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 2-amino-4-morpholin-4-yl-4-oxobutanoic acid is NC(CC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-amino-4-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is YHMVLGASNQKOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-6(8(12)13)5-7(11)10-1-3-14-4-2-10/h6H,1-5,9H2,(H,12,13).
What are the key properties of 2-amino-4-morpholin-4-yl-4-oxobutanoic acid?
2-amino-4-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 18476647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).