2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide

C12H24N4O3 — CID 143230381

IUPAC2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide
SMILESCCC(C)NC(=O)CCNC(=O)C(N)CCC(N)=O
InChIInChI=1S/C12H24N4O3/c1-3-8(2)16-11(18)6-7-15-12(19)9(13)4-5-10(14)17/h8-9H,3-7,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)
InChIKeyQYHOOZKROODBPI-UHFFFAOYSA-N
MW272.35 g/mol
LogP-1.00
Rot. Bonds9

About 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide

2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide (PubChem CID 143230381) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide.

Molecular Properties

Compound Name2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide
PubChem CID143230381
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide
SMILESCCC(C)NC(=O)CCNC(=O)C(N)CCC(N)=O
InChIInChI=1S/C12H24N4O3/c1-3-8(2)16-11(18)6-7-15-12(19)9(13)4-5-10(14)17/h8-9H,3-7,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)
InChIKeyQYHOOZKROODBPI-UHFFFAOYSA-N
XLogP-1.00
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 64896520
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
(2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide
CID 24887233
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
CID 25062155
N-butan-2-yl-3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanamide
CID 110979277
N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
CID 60545815

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide?
The IUPAC name of 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide (CID 143230381) is 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide.
What is the SMILES notation for 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide?
The canonical SMILES for 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide is CCC(C)NC(=O)CCNC(=O)C(N)CCC(N)=O.
What is the InChIKey of 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide?
The InChIKey is QYHOOZKROODBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-3-8(2)16-11(18)6-7-15-12(19)9(13)4-5-10(14)17/h8-9H,3-7,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18).
What are the key properties of 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide?
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide has a molecular weight of 272.35 g/mol, XLogP of -1.00, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanediamide is sourced from PubChem (CID 143230381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).