(2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride

C12H18ClN3O3 — CID 119281571

IUPAC(2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc(OCC(N)=O)cc1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-2-10(13)12(17)15-8-3-5-9(6-4-8)18-7-11(14)16;/h3-6,10H,2,7,13H2,1H3,(H2,14,16)(H,15,17);1H/t10-;/m0./s1
InChIKeyINDPMVVWQUAIJS-PPHPATTJSA-N
MW287.75 g/mol
LogP0.65
Rot. Bonds6

About (2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride

(2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride (PubChem CID 119281571) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride
PubChem CID119281571
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name(2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc(OCC(N)=O)cc1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-2-10(13)12(17)15-8-3-5-9(6-4-8)18-7-11(14)16;/h3-6,10H,2,7,13H2,1H3,(H2,14,16)(H,15,17);1H/t10-;/m0./s1
InChIKeyINDPMVVWQUAIJS-PPHPATTJSA-N
XLogP0.65
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
CID 62475184
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 43700551
3-amino-4-[4-(2-methoxy-2-oxoethoxy)anilino]-4-oxobutanoic acid
CID 64895687
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
ethyl 4-(2-aminobutanoylamino)benzoate
CID 61252115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride (CID 119281571) is (2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride is CC[C@H](N)C(=O)Nc1ccc(OCC(N)=O)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride?
The InChIKey is INDPMVVWQUAIJS-PPHPATTJSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c1-2-10(13)12(17)15-8-3-5-9(6-4-8)18-7-11(14)16;/h3-6,10H,2,7,13H2,1H3,(H2,14,16)(H,15,17);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride?
(2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119281571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).