N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide

C10H20N4O4 — CID 114152761

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NCC(O)C(N)=O
InChIInChI=1S/C10H20N4O4/c1-5(2)3-6(14-10(12)18)9(17)13-4-7(15)8(11)16/h5-7,15H,3-4H2,1-2H3,(H2,11,16)(H,13,17)(H3,12,14,18)
InChIKeyUFLJYZDZJJJLJD-UHFFFAOYSA-N
MW260.29 g/mol
LogP-1.97
Rot. Bonds7

About N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide (PubChem CID 114152761) has the molecular formula C10H20N4O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide
PubChem CID114152761
Molecular FormulaC10H20N4O4
Molecular Weight260.29 g/mol
Exact Mass260.15
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NCC(O)C(N)=O
InChIInChI=1S/C10H20N4O4/c1-5(2)3-6(14-10(12)18)9(17)13-4-7(15)8(11)16/h5-7,15H,3-4H2,1-2H3,(H2,11,16)(H,13,17)(H3,12,14,18)
InChIKeyUFLJYZDZJJJLJD-UHFFFAOYSA-N
XLogP-1.97
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
CID 107232747
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylpentanamide
CID 43500738
2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
CID 113498876
ethyl 4-[[2-(carbamoylamino)-4-methylpentanoyl]amino]butanoate
CID 60637444
3-(2-cyclopropylpropanoylamino)-2-hydroxypropanamide
CID 106164214
2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
CID 63929707
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286
2-hydroxy-3-(2-phenylpropanoylamino)propanamide
CID 107260947
[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 106837135

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide (CID 114152761) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide is CC(C)CC(NC(N)=O)C(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide?
The InChIKey is UFLJYZDZJJJLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4/c1-5(2)3-6(14-10(12)18)9(17)13-4-7(15)8(11)16/h5-7,15H,3-4H2,1-2H3,(H2,11,16)(H,13,17)(H3,12,14,18).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide has a molecular weight of 260.29 g/mol, XLogP of -1.97, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide is sourced from PubChem (CID 114152761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).