(2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide

C18H25N3O4 — CID 139379745

IUPAC(2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide
SMILESC[C@@H](O)[C@@H](C(N)=O)N1CC2(CCC(=O)N2)C1COCc1ccccc1
InChIInChI=1S/C18H25N3O4/c1-12(22)16(17(19)24)21-11-18(8-7-15(23)20-18)14(21)10-25-9-13-5-3-2-4-6-13/h2-6,12,14,16,22H,7-11H2,1H3,(H2,19,24)(H,20,23)/t12-,14?,16+,18?/m1/s1
InChIKeyUSRHLDRSEQNGIV-DRMSGTBHSA-N
MW347.42 g/mol
LogP-0.23
Rot. Bonds7

About (2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide

(2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide (PubChem CID 139379745) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide
PubChem CID139379745
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide
SMILESC[C@@H](O)[C@@H](C(N)=O)N1CC2(CCC(=O)N2)C1COCc1ccccc1
InChIInChI=1S/C18H25N3O4/c1-12(22)16(17(19)24)21-11-18(8-7-15(23)20-18)14(21)10-25-9-13-5-3-2-4-6-13/h2-6,12,14,16,22H,7-11H2,1H3,(H2,19,24)(H,20,23)/t12-,14?,16+,18?/m1/s1
InChIKeyUSRHLDRSEQNGIV-DRMSGTBHSA-N
XLogP-0.23
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,10R)-10-ethyl-9-(2-phenylmethoxyethyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155852579
(2S,3R)-2-[8-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-benzyl-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
CID 134243988
2-(5-benzyl-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanamide
CID 139371259
benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate
CID 130367556
benzyl (2S,3R)-2-carbamoyl-3-hydroxybutanoate
CID 22843274
benzyl (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-8-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 135001632
2-(4-phenylmethoxybenzoyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137456015
2-methyl-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 164639715
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
tert-butyl (2S,3R)-3-hydroxy-3-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 58149386
(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
CID 10869250
(2R,3S)-1-(benzenesulfonyl)-3-methyl-2-(phenylmethoxymethyl)pyrrolidin-3-ol
CID 66933196

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide (CID 139379745) is (2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide is C[C@@H](O)[C@@H](C(N)=O)N1CC2(CCC(=O)N2)C1COCc1ccccc1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
The InChIKey is USRHLDRSEQNGIV-DRMSGTBHSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(22)16(17(19)24)21-11-18(8-7-15(23)20-18)14(21)10-25-9-13-5-3-2-4-6-13/h2-6,12,14,16,22H,7-11H2,1H3,(H2,19,24)(H,20,23)/t12-,14?,16+,18?/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide?
(2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide has a molecular weight of 347.42 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[6-oxo-3-(phenylmethoxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]butanamide is sourced from PubChem (CID 139379745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).