(2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide

C8H15NO4 — CID 130758102

IUPAC(2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)[C@H](C)O
InChIInChI=1S/C8H15NO4/c1-5(10)8(11)9-6-3-13-4-7(6)12-2/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t5-,6-,7-/m0/s1
InChIKeyYQUSHJLMDNFGBY-ACZMJKKPSA-N
MW189.21 g/mol
LogP-1.10
Rot. Bonds3

About (2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide

(2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide (PubChem CID 130758102) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide
PubChem CID130758102
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)[C@H](C)O
InChIInChI=1S/C8H15NO4/c1-5(10)8(11)9-6-3-13-4-7(6)12-2/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t5-,6-,7-/m0/s1
InChIKeyYQUSHJLMDNFGBY-ACZMJKKPSA-N
XLogP-1.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(1R,2R)-2-methoxycyclopentyl]propanamide
CID 130831737
1-[(3S,4R)-4-methoxyoxolan-3-yl]-3-methylthiourea
CID 130676291
2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide
CID 146081478
(2S)-2-hydroxy-N-(3-methoxycyclobutyl)propanamide
CID 131069206
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide
CID 122564714
1-(4-methoxyoxolan-3-yl)-3-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532863
1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea
CID 131911929
1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124143
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913
N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 131894866
1-[(2-amino-2-adamantyl)methyl]-3-[(3S,4S)-4-methoxyoxolan-3-yl]urea
CID 128818539

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide (CID 130758102) is (2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide is CO[C@H]1COC[C@@H]1NC(=O)[C@H](C)O.
What is the InChIKey of (2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide?
The InChIKey is YQUSHJLMDNFGBY-ACZMJKKPSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(10)8(11)9-6-3-13-4-7(6)12-2/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t5-,6-,7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide?
(2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide has a molecular weight of 189.21 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide is sourced from PubChem (CID 130758102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).