(3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid

C11H16N4O3 — CID 40801348

IUPAC(3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid
SMILESN[C@@H](CC(=O)O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C11H16N4O3/c12-9(5-10(16)17)8-6-13-11(14-7-8)15-1-3-18-4-2-15/h6-7,9H,1-5,12H2,(H,16,17)/t9-/m0/s1
InChIKeyKSKVNTDCSRZNIL-VIFPVBQESA-N
MW252.27 g/mol
LogP-0.21
Rot. Bonds4

About (3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid

(3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid (PubChem CID 40801348) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid
PubChem CID40801348
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid
SMILESN[C@@H](CC(=O)O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C11H16N4O3/c12-9(5-10(16)17)8-6-13-11(14-7-8)15-1-3-18-4-2-15/h6-7,9H,1-5,12H2,(H,16,17)/t9-/m0/s1
InChIKeyKSKVNTDCSRZNIL-VIFPVBQESA-N
XLogP-0.21
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-3-(pyrimidin-5-yl)propanoic acid dihydrochloride
CID 139022705
3-Amino-3-pyrimidin-5-yl-propionic acid
CID 17929675
(2S)-2-amino-3-(2-aminopyrimidin-5-yl)propanoic acid
CID 89847621
(3R)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97152625
t-Butyl 3-amino-3-(5-pyrimidinyl)propanoate trifluoroacetate salt
CID 18949152
2-Amino-3-(pyrimidin-5-yl)propanoic acid
CID 21813639
3-Amino-3-[2-(trifluoromethyl)pyrimidin-5-yl]propanoic acid
CID 82620599
2-Amino-5-[(5-butylpyrimidin-2-yl)amino]pentanoic acid
CID 312672
2-Amino-5-[(5-pentylpyrimidin-2-yl)amino]pentanoic acid
CID 312673
2-Amino-5-[(5-propylpyrimidin-2-yl)amino]pentanoic acid
CID 312671
(S)-2-amino-3-(pyrimidin-5-yl)propanoic acid
CID 11435155
Tert-butyl 3-amino-3-pyrimidin-5-ylpropanoate
CID 15223472

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid (CID 40801348) is (3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid is N[C@@H](CC(=O)O)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of (3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid?
The InChIKey is KSKVNTDCSRZNIL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O3/c12-9(5-10(16)17)8-6-13-11(14-7-8)15-1-3-18-4-2-15/h6-7,9H,1-5,12H2,(H,16,17)/t9-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid?
(3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid has a molecular weight of 252.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-morpholin-4-ylpyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 40801348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).