[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea

C12H24N4O2 — CID 79013238

IUPAC[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
SMILESCC(C)[C@@H](N)C(=O)N1CCCC(CNC(N)=O)C1
InChIInChI=1S/C12H24N4O2/c1-8(2)10(13)11(17)16-5-3-4-9(7-16)6-15-12(14)18/h8-10H,3-7,13H2,1-2H3,(H3,14,15,18)/t9?,10-/m1/s1
InChIKeyFNVSWIJNFQZWCU-QVDQXJPCSA-N
MW256.35 g/mol
LogP-0.12
Rot. Bonds4

About [1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea

[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea (PubChem CID 79013238) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
PubChem CID79013238
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
SMILESCC(C)[C@@H](N)C(=O)N1CCCC(CNC(N)=O)C1
InChIInChI=1S/C12H24N4O2/c1-8(2)10(13)11(17)16-5-3-4-9(7-16)6-15-12(14)18/h8-10H,3-7,13H2,1-2H3,(H3,14,15,18)/t9?,10-/m1/s1
InChIKeyFNVSWIJNFQZWCU-QVDQXJPCSA-N
XLogP-0.12
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288848
N-[[(3R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]acetamide
CID 96554614
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide
CID 119746034
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
CID 66566800
(2S)-2-amino-1-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 121230429
(2S)-2-amino-3-methyl-1-[(3S)-3-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]butan-1-one
CID 96554894
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
tert-butyl (3S)-3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 96552208
tert-butyl 3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 66564161
tert-butyl (3R)-3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]piperidine-1-carboxylate
CID 96552209

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea?
The IUPAC name of [1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea (CID 79013238) is [1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea.
What is the SMILES notation for [1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea?
The canonical SMILES for [1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea is CC(C)[C@@H](N)C(=O)N1CCCC(CNC(N)=O)C1.
What is the InChIKey of [1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea?
The InChIKey is FNVSWIJNFQZWCU-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-8(2)10(13)11(17)16-5-3-4-9(7-16)6-15-12(14)18/h8-10H,3-7,13H2,1-2H3,(H3,14,15,18)/t9?,10-/m1/s1.
What are the key properties of [1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea?
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea has a molecular weight of 256.35 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea is sourced from PubChem (CID 79013238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).