(3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid

C15H24N2O4 — CID 18605572

IUPAC(3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)NC1(COC(C2CC2)C2CC2)CC1
InChIInChI=1S/C15H24N2O4/c16-11(7-12(18)19)14(20)17-15(5-6-15)8-21-13(9-1-2-9)10-3-4-10/h9-11,13H,1-8,16H2,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyHNRKIDAPUVVBRM-NSHDSACASA-N
MW296.37 g/mol
LogP0.64
Rot. Bonds9

About (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid

(3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid (PubChem CID 18605572) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid
PubChem CID18605572
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)NC1(COC(C2CC2)C2CC2)CC1
InChIInChI=1S/C15H24N2O4/c16-11(7-12(18)19)14(20)17-15(5-6-15)8-21-13(9-1-2-9)10-3-4-10/h9-11,13H,1-8,16H2,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyHNRKIDAPUVVBRM-NSHDSACASA-N
XLogP0.64
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(3S)-3-amino-4-[[1-[(1-cyclopropyl-2,2-dimethylpropoxy)methyl]cyclopropyl]amino]-4-oxobutanoic acid
CID 18605568
(3S)-3-amino-4-oxo-4-[[1-(3,3,5,5-tetramethylheptan-4-yloxymethyl)cyclopropyl]amino]butanoic acid
CID 54361366
(3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid
CID 18605566
(3S)-3-amino-4-[[1-(1-cyclopropyl-2-methylpropoxy)carbonylcyclopropyl]amino]-4-oxobutanoic acid
CID 54144563
3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid
CID 64895375
3-amino-4-hydrazinyl-4-oxobutanoic acid
CID 18780182
3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid
CID 64895471
3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
CID 103870481
3-amino-4-hydrazinyl-4-oxobutanoic acid;dihydrochloride
CID 138991140
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
4-[1-(1-adamantyl)ethylamino]-3-amino-4-oxobutanoic acid
CID 64896630
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid?
The IUPAC name of (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid (CID 18605572) is (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid is N[C@@H](CC(=O)O)C(=O)NC1(COC(C2CC2)C2CC2)CC1.
What is the InChIKey of (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid?
The InChIKey is HNRKIDAPUVVBRM-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N2O4/c16-11(7-12(18)19)14(20)17-15(5-6-15)8-21-13(9-1-2-9)10-3-4-10/h9-11,13H,1-8,16H2,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid?
(3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid has a molecular weight of 296.37 g/mol, XLogP of 0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-[[1-(dicyclopropylmethoxymethyl)cyclopropyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 18605572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).