2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide

C17H27N5O3 — CID 174837586

IUPAC2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide
SMILESCC(C)CC(N)C(=O)N(NC(=O)C(N)Cc1ccccc1)C(=O)CN
InChIInChI=1S/C17H27N5O3/c1-11(2)8-14(20)17(25)22(15(23)10-18)21-16(24)13(19)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,18-20H2,1-2H3,(H,21,24)
InChIKeyYRXOMYDYKBMVID-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.73
Rot. Bonds7

About 2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide

2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide (PubChem CID 174837586) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide.

Molecular Properties

Compound Name2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide
PubChem CID174837586
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide
SMILESCC(C)CC(N)C(=O)N(NC(=O)C(N)Cc1ccccc1)C(=O)CN
InChIInChI=1S/C17H27N5O3/c1-11(2)8-14(20)17(25)22(15(23)10-18)21-16(24)13(19)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,18-20H2,1-2H3,(H,21,24)
InChIKeyYRXOMYDYKBMVID-UHFFFAOYSA-N
XLogP-0.73
TPSA144.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 22323802
(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide
CID 61274682
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)
CID 67055229
2-amino-N-fluoro-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 174903207
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18223252
[(1S)-1-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 118989385
(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
CID 78985610
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
3-amino-5-methylhexan-2-one;3-methyl-4-phenylbutan-2-one
CID 161370399

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide?
The IUPAC name of 2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide (CID 174837586) is 2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide.
What is the SMILES notation for 2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide?
The canonical SMILES for 2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide is CC(C)CC(N)C(=O)N(NC(=O)C(N)Cc1ccccc1)C(=O)CN.
What is the InChIKey of 2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide?
The InChIKey is YRXOMYDYKBMVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-11(2)8-14(20)17(25)22(15(23)10-18)21-16(24)13(19)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,18-20H2,1-2H3,(H,21,24).
What are the key properties of 2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide?
2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide has a molecular weight of 349.44 g/mol, XLogP of -0.73, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-aminoacetyl)-N'-(2-amino-3-phenylpropanoyl)-4-methylpentanehydrazide is sourced from PubChem (CID 174837586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).