(2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide

C11H24N4O4 — CID 172563452

IUPAC(2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide
SMILESNC(=O)[C@H](N)CCCCNC(=O)NCC(CO)CO
InChIInChI=1S/C11H24N4O4/c12-9(10(13)18)3-1-2-4-14-11(19)15-5-8(6-16)7-17/h8-9,16-17H,1-7,12H2,(H2,13,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyQZPUXHPQMSIXNB-SECBINFHSA-N
MW276.34 g/mol
LogP-2.13
Rot. Bonds10

About (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide

(2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide (PubChem CID 172563452) has the molecular formula C11H24N4O4 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide.

Molecular Properties

Compound Name(2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide
PubChem CID172563452
Molecular FormulaC11H24N4O4
Molecular Weight276.34 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide
SMILESNC(=O)[C@H](N)CCCCNC(=O)NCC(CO)CO
InChIInChI=1S/C11H24N4O4/c12-9(10(13)18)3-1-2-4-14-11(19)15-5-8(6-16)7-17/h8-9,16-17H,1-7,12H2,(H2,13,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyQZPUXHPQMSIXNB-SECBINFHSA-N
XLogP-2.13
TPSA150.70 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.34
LogP ≤ 5-2.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide with MolForge

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Related Compounds

(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
tert-butyl N-(7,8-diamino-8-oxooctyl)carbamate
CID 87097822
(2S)-2-amino-3-(3-aminopropylcarbamoylamino)propanoic acid
CID 89124095
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide
CID 91198977
(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
CID 101417077
2-amino-6-[3-(3-methyldiazirin-3-yl)propylcarbamoylamino]hexanoic acid;hydrochloride
CID 171324498
N-(5,6-diamino-6-oxohexyl)-3-(hydroxymethyl)benzamide
CID 143526103
(2R,3R)-N-[(5S)-5,6-diamino-6-oxohexyl]-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 149254100
3-(2,3-dihydroxypropylcarbamoylamino)propylsulfanium
CID 143928963
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide?
The IUPAC name of (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide (CID 172563452) is (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide.
What is the SMILES notation for (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide?
The canonical SMILES for (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide is NC(=O)[C@H](N)CCCCNC(=O)NCC(CO)CO.
What is the InChIKey of (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide?
The InChIKey is QZPUXHPQMSIXNB-SECBINFHSA-N. The full InChI is InChI=1S/C11H24N4O4/c12-9(10(13)18)3-1-2-4-14-11(19)15-5-8(6-16)7-17/h8-9,16-17H,1-7,12H2,(H2,13,18)(H2,14,15,19)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide?
(2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide has a molecular weight of 276.34 g/mol, XLogP of -2.13, 10 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-[[3-hydroxy-2-(hydroxymethyl)propyl]carbamoylamino]hexanamide is sourced from PubChem (CID 172563452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).